EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H15N3O4 |
| Net Charge | 0 |
| Average Mass | 289.291 |
| Monoisotopic Mass | 289.10626 |
| SMILES | CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1 |
| InChI | InChI=1S/C14H15N3O4/c1-14(2,3)11-8-12(16-21-11)15-13(18)9-5-4-6-10(7-9)17(19)20/h4-8H,1-3H3,(H,15,16,18) |
| InChIKey | WQPXBACBBSRAAI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(5-tert-butyl-3-isoxazolyl)-3-nitrobenzamide (CHEBI:112283) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23695 | LINCS |